이름: 3-(4-methoxypyridin-2-yl)nitrobenzene
SMILES:
COc1ccnc(-c2cccc([N+](=O)[O-])c2)c1Molecular Processing
Molecular formula
C12H10N2O3
Molecular weight
230.22
Exact mass
230.0691
XLogP
2.67
TPSA
65.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
62.88
Supplementary Information
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